2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[4,6-bis(azanyl)pyrimidin-2-yl]sulfanyl-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(1-naphthylmethyl)piperazin-1-yl]ethanone CAS Name: 2-[(4,6-diamino-2-pyrimidinyl)thio]-1-[4-(1-naphthalenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4,6-diaminopyrimidin-2-yl)sulfanyl-1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-[(4,6-diaminopyrimidin-2-yl)thio]-1-[4-(1-naphthylmethyl)piperazino]ethanone Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NC(=CC(=N4)N)N

Isomeric SMILES

C1CN(CCN1CC2=CC=CC3=CC=CC=C32)C(=O)CSC4=NC(=CC(=N4)N)N

InChI

InChI=1S/C21H24N6OS/c22-18-12-19(23)25-21(24-18)29-14-20(28)27-10-8-26(9-11-27)13-16-6-3-5-15-4-1-2-7-17(15)16/h1-7,12H,8-11,13-14H2,(H4,22,23,24,25)